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1-step Molecular Event Prediction on Mo-S Reactive System Trajectories

0.6614AccuracyEvoMD-LLM
0.0564320.2134910.370550.527609May 28, 2026

Evaluation results

MethodLinks
EvoMD-LLMBackbone=EvoMD-LLM2026.050.66140
Llama-3.1Backbone=Llama-3.1, Evaluation Protocol=RAG (k = 5)2026.050.39520.0092
Llama-3.1Backbone=Llama-3.1, Evaluation Protocol=Content-All2026.050.19640.0008
Llama-3.1Backbone=Llama-3.1, Evaluation Protocol=Content-10002026.050.17020.0109
Llama-3.1Backbone=Llama-3.1, Evaluation Protocol=Few-shot2026.050.16940.0132
ChemDFMBackbone=ChemDFM, Evaluation Protocol=Zero-shot2026.050.12240.0136
ChemDFMBackbone=ChemDFM, Evaluation Protocol=Few-shot2026.050.0860.0614
Llama-3.1Backbone=Llama-3.1, Evaluation Protocol=Zero-shot2026.050.07970.365